N-[(1Z)-1,2-difluoro-4-methylpenta-1,3-dienyl]methanimine

C7H9F2N — CID 155407014

IUPACN-[(1Z)-1,2-difluoro-4-methylpenta-1,3-dienyl]methanimine
SMILESC=N/C(F)=C(/F)C=C(C)C
InChIInChI=1S/C7H9F2N/c1-5(2)4-6(8)7(9)10-3/h4H,3H2,1-2H3/b7-6+
InChIKeyPEMRDZILCSDHCJ-VOTSOKGWSA-N
MW145.15 g/mol
LogP2.76
Rot. Bonds2

About N-[(1Z)-1,2-difluoro-4-methylpenta-1,3-dienyl]methanimine

N-[(1Z)-1,2-difluoro-4-methylpenta-1,3-dienyl]methanimine (PubChem CID 155407014) has the molecular formula C7H9F2N and a molecular weight of 145.15 g/mol. Its IUPAC name is N-[(1Z)-1,2-difluoro-4-methylpenta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z)-1,2-difluoro-4-methylpenta-1,3-dienyl]methanimine
PubChem CID155407014
Molecular FormulaC7H9F2N
Molecular Weight145.15 g/mol
Exact Mass145.07
IUPAC NameN-[(1Z)-1,2-difluoro-4-methylpenta-1,3-dienyl]methanimine
SMILESC=N/C(F)=C(/F)C=C(C)C
InChIInChI=1S/C7H9F2N/c1-5(2)4-6(8)7(9)10-3/h4H,3H2,1-2H3/b7-6+
InChIKeyPEMRDZILCSDHCJ-VOTSOKGWSA-N
XLogP2.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.15
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1,2-difluoro-4-methylpenta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z)-1,2-difluoro-4-methylpenta-1,3-dienyl]methanimine (CID 155407014) is N-[(1Z)-1,2-difluoro-4-methylpenta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z)-1,2-difluoro-4-methylpenta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z)-1,2-difluoro-4-methylpenta-1,3-dienyl]methanimine is C=N/C(F)=C(/F)C=C(C)C.
What is the InChIKey of N-[(1Z)-1,2-difluoro-4-methylpenta-1,3-dienyl]methanimine?
The InChIKey is PEMRDZILCSDHCJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H9F2N/c1-5(2)4-6(8)7(9)10-3/h4H,3H2,1-2H3/b7-6+.
What are the key properties of N-[(1Z)-1,2-difluoro-4-methylpenta-1,3-dienyl]methanimine?
N-[(1Z)-1,2-difluoro-4-methylpenta-1,3-dienyl]methanimine has a molecular weight of 145.15 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1,2-difluoro-4-methylpenta-1,3-dienyl]methanimine is sourced from PubChem (CID 155407014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).